Geometry & MOs

Info

ID:	122497
PubChem CID:	50809152
Reduced:	BrN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	17.99
Dipole, Da:	4.04
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrazol-3-yl)-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(=C1)C2CCCN2C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations